3-chloro-N-[1-(hydroxymethyl)-3-methylcyclohexyl]benzenesulfonamide

C14H20ClNO3S — CID 62527752

IUPAC3-chloro-N-[1-(hydroxymethyl)-3-methylcyclohexyl]benzenesulfonamide
SMILESCC1CCCC(CO)(NS(=O)(=O)c2cccc(Cl)c2)C1
InChIInChI=1S/C14H20ClNO3S/c1-11-4-3-7-14(9-11,10-17)16-20(18,19)13-6-2-5-12(15)8-13/h2,5-6,8,11,16-17H,3-4,7,9-10H2,1H3
InChIKeyWPVSEWDOZLVXEH-UHFFFAOYSA-N
MW317.84 g/mol
LogP2.56
Rot. Bonds4

About 3-chloro-N-[1-(hydroxymethyl)-3-methylcyclohexyl]benzenesulfonamide

3-chloro-N-[1-(hydroxymethyl)-3-methylcyclohexyl]benzenesulfonamide (PubChem CID 62527752) has the molecular formula C14H20ClNO3S and a molecular weight of 317.84 g/mol. Its IUPAC name is 3-chloro-N-[1-(hydroxymethyl)-3-methylcyclohexyl]benzenesulfonamide.

Molecular Properties

Compound Name3-chloro-N-[1-(hydroxymethyl)-3-methylcyclohexyl]benzenesulfonamide
PubChem CID62527752
Molecular FormulaC14H20ClNO3S
Molecular Weight317.84 g/mol
Exact Mass317.09
IUPAC Name3-chloro-N-[1-(hydroxymethyl)-3-methylcyclohexyl]benzenesulfonamide
SMILESCC1CCCC(CO)(NS(=O)(=O)c2cccc(Cl)c2)C1
InChIInChI=1S/C14H20ClNO3S/c1-11-4-3-7-14(9-11,10-17)16-20(18,19)13-6-2-5-12(15)8-13/h2,5-6,8,11,16-17H,3-4,7,9-10H2,1H3
InChIKeyWPVSEWDOZLVXEH-UHFFFAOYSA-N
XLogP2.56
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.84
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-4-chloro-N-[1-(hydroxymethyl)-3-methylcyclohexyl]benzenesulfonamide
CID 62525698
4-bromo-N-[1-(hydroxymethyl)-3-methylcyclohexyl]benzenesulfonamide
CID 62527403
2-[1-[(3-chlorophenyl)sulfonylamino]cyclobutyl]acetic acid
CID 79845498
4-amino-3-fluoro-N-[1-(hydroxymethyl)-3-methylcyclohexyl]benzenesulfonamide
CID 82845931
2-[1-[(3-chlorophenyl)sulfonylamino]cyclohexyl]acetic acid
CID 64701151
4-cyano-N-[1-(hydroxymethyl)-3-methylcyclohexyl]benzenesulfonamide
CID 62527220
2-chloro-4-fluoro-N-[1-(hydroxymethyl)-3-methylcyclohexyl]benzenesulfonamide
CID 62525664
3-fluoro-N-[1-(hydroxymethyl)-4-methylcyclohexyl]benzenesulfonamide
CID 62525829
3-amino-N-[1-(hydroxymethyl)-3-methylcyclohexyl]-2-methylbenzenesulfonamide
CID 62527798
5-bromo-4-chloro-N-[1-(hydroxymethyl)-3-methylcyclohexyl]thiophene-2-sulfonamide
CID 80577795
2-cyano-N-[1-(hydroxymethyl)-3-methylcyclohexyl]benzenesulfonamide
CID 62527401
N-[1-(bromomethyl)-3-methylcyclohexyl]-3,4-difluorobenzenesulfonamide
CID 114293927

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[1-(hydroxymethyl)-3-methylcyclohexyl]benzenesulfonamide?
The IUPAC name of 3-chloro-N-[1-(hydroxymethyl)-3-methylcyclohexyl]benzenesulfonamide (CID 62527752) is 3-chloro-N-[1-(hydroxymethyl)-3-methylcyclohexyl]benzenesulfonamide.
What is the SMILES notation for 3-chloro-N-[1-(hydroxymethyl)-3-methylcyclohexyl]benzenesulfonamide?
The canonical SMILES for 3-chloro-N-[1-(hydroxymethyl)-3-methylcyclohexyl]benzenesulfonamide is CC1CCCC(CO)(NS(=O)(=O)c2cccc(Cl)c2)C1.
What is the InChIKey of 3-chloro-N-[1-(hydroxymethyl)-3-methylcyclohexyl]benzenesulfonamide?
The InChIKey is WPVSEWDOZLVXEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO3S/c1-11-4-3-7-14(9-11,10-17)16-20(18,19)13-6-2-5-12(15)8-13/h2,5-6,8,11,16-17H,3-4,7,9-10H2,1H3.
What are the key properties of 3-chloro-N-[1-(hydroxymethyl)-3-methylcyclohexyl]benzenesulfonamide?
3-chloro-N-[1-(hydroxymethyl)-3-methylcyclohexyl]benzenesulfonamide has a molecular weight of 317.84 g/mol, XLogP of 2.56, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[1-(hydroxymethyl)-3-methylcyclohexyl]benzenesulfonamide is sourced from PubChem (CID 62527752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).